N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide

C15H12F3N5OS — CID 87147511

IUPACN-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
SMILESCc1cccnc1N(C=O)c1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C15H12F3N5OS/c1-9-4-3-5-19-13(9)23(8-24)14-20-7-11(25-14)10-6-12(15(16,17)18)21-22(10)2/h3-8H,1-2H3
InChIKeyRAZFHKLBRVCSFA-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.56
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide

N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide (PubChem CID 87147511) has the molecular formula C15H12F3N5OS and a molecular weight of 367.36 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
PubChem CID87147511
Molecular FormulaC15H12F3N5OS
Molecular Weight367.36 g/mol
Exact Mass367.07
IUPAC NameN-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
SMILESCc1cccnc1N(C=O)c1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C15H12F3N5OS/c1-9-4-3-5-19-13(9)23(8-24)14-20-7-11(25-14)10-6-12(15(16,17)18)21-22(10)2/h3-8H,1-2H3
InChIKeyRAZFHKLBRVCSFA-UHFFFAOYSA-N
XLogP3.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(methylsulfonyl)-2-(5-(4-(thiazol-5-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine
CID 44410246
3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043437
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 56848138
(3,5-difluoro(4-pyridyl))-N-{5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848139
N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)pyridin-2-yl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 135234248
1-[5-tert-Butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[5-(2-pyridin-4-yl-ethyl)-thiazol-2-yl]-urea
CID 151283344
1-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[5-(2-pyridin-4-yl-ethyl)-thiazol-2-yl]-urea
CID 152241138
1-{5-[2-(2-Amino-pyridin-yl)-ethyl]-thiazol-2-yl}-3-[5-tert-butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-urea
CID 156239969
5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645256
[4-[2-(1,3-Thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69086177
N-[4-(2-{2-[3-(5-tert-Butyl-2-isopropyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-acetamide
CID 148028369
1-{5-[2-(2-Amino-pyridin-4-yl)-ethyl]-thiazol-2-yl}-3-(5-tert-butyl-2-methyl-2H-pyrazol-3-yl)-urea
CID 149620846

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide (CID 87147511) is N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide is Cc1cccnc1N(C=O)c1ncc(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The InChIKey is RAZFHKLBRVCSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5OS/c1-9-4-3-5-19-13(9)23(8-24)14-20-7-11(25-14)10-6-12(15(16,17)18)21-22(10)2/h3-8H,1-2H3.
What are the key properties of N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide has a molecular weight of 367.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 87147511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).